(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

C19H23N3O4S — CID 138016258

IUPAC(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N1C(C(=O)N(C)C)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H23N3O4S/c1-11-12(20-18(26-11)16-5-4-8-27-16)9-17(23)22-13-6-7-25-15(13)10-14(22)19(24)21(2)3/h4-5,8,13-15H,6-7,9-10H2,1-3H3/t13-,14?,15-/m0/s1
InChIKeyZEYWOTUMTJUDSP-LWEDLAQUSA-N
MW389.48 g/mol
LogP2.10
Rot. Bonds4

About (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 138016258) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
PubChem CID138016258
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N1C(C(=O)N(C)C)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H23N3O4S/c1-11-12(20-18(26-11)16-5-4-8-27-16)9-17(23)22-13-6-7-25-15(13)10-14(22)19(24)21(2)3/h4-5,8,13-15H,6-7,9-10H2,1-3H3/t13-,14?,15-/m0/s1
InChIKeyZEYWOTUMTJUDSP-LWEDLAQUSA-N
XLogP2.10
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94487250
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94103355
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75361365
1-(2-ethylmorpholin-4-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 43070547
1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 136586915
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119580049
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 60834843
6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136532
4-hydroxy-1-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxamide
CID 146084239
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55514055
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 97002467

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (CID 138016258) is (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is Cc1oc(-c2cccs2)nc1CC(=O)N1C(C(=O)N(C)C)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZEYWOTUMTJUDSP-LWEDLAQUSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11-12(20-18(26-11)16-5-4-8-27-16)9-17(23)22-13-6-7-25-15(13)10-14(22)19(24)21(2)3/h4-5,8,13-15H,6-7,9-10H2,1-3H3/t13-,14?,15-/m0/s1.
What are the key properties of (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
(3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N,N-dimethyl-4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 138016258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).